The degeneracy of the Hessian eigenvalues of the π-electron density: A new manifestation of aromaticity

Chemical Physics Letters

Volumn 595-596, Issue , 2014, Pages 48-54

  Firouzi, Rohoullah ^a  

^a CHEMISTRY AND CHEMICAL ENGINEERING RESEARCH CENTER OF IRAN   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84894559439     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2014.01.051     Document Type: Article

References (49)

1. V.I. Minkin, M.N. Glukhovtsev, and B.Y. Simkin Aromaticity and Antiaromaticity - Electronic and Structural Aspects 1994 Wiley and Sons New York
2. T.M. Krygowski, M.K. Cyrañski, Z. Czarnocki, G. Hüfelinger, and A.R. Katritzky Tetrahedron 56 2000 1783
3. P.V.R. Schleyer, and H. Jiao Pure Appl. Chem. 68 1996 209
4. D. Lloyd J. Chem. Inf. Comput. Sci. 36 1996 442
5. A. Stanger Chem. Commun. 2009 1939
6. Special issue on aromaticity P.V.R. Schleyer Chem. Rev. 101 5 2001
7. Special issue on electron delocalization P.V.R. Schleyer Chem. Rev. 105 10 2001
8. Special edition on aromaticity, electron delocalization, and related molecular properties, Phys. Chem. Chem. Phys., 13 (2011) 20-485.
9. F. Feixas, E. Matito, J. Poater, and M. Solà J. Comput. Chem. 29 2008 1543
10. G. Merino, A. Vela, and T. Heine Chem. Rev. 105 2005 3812 and references therein
11. J. Poater, M. Duran, M. Solà, and B. Silvi Chem. Rev. 105 2005 3911 and references therein
12. S.T. Howard, and T.M. Krygowski Can. J. Chem. 75 1997 1174
13. C.F. Matta, and J. Hernandez-Trujillo J. Phys. Chem. A 107 2003 7496
14. M. Mandado, P. Bultinck, M.J. Gonzalez-Mao, and R.A. Mosquera Chem. Phys. Lett. 433 2006 5
15. M. Palusiak, and T.M. Krygowski Chem. Eur. J. 13 2007 7996
16. A. Mohajeri, and A. Ashrafi Chem. Phys. Lett. 458 2008 378
17. A.A. Ebrahimi, R. Ghiasi, and C. Foroutan-Nejad J. Mol. Struct. (THEOCHEM) 941 2010 47
18. J. Dominikowska, and M. Palusiak Struct. Chem. 23 2012 1173
19. R.F.W. Bader, A. Streitwieser, A. Neuhaus, K.E. Laidig, and P. Speers J. Am. Chem. Soc. 118 1996 4959
20. J. Poater, X. Fradera, M. Duran, and M. Solà Chem. Eur. J. 9 2003 400
21. E. Matito, M. Duran, and M. Solà J. Chem. Phys. 122 2005 014109
22. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
23. R.A. Kendall, T.H. Dunning, and R.J. Harrison J. Chem. Phys. 96 1992 6796
24. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, and S. Koseki et al. J. Comput. Chem. 14 1993 1347
25. P.B. Karadakov J. Phys. Chem. A 112 2008 7303
26. P.B. Karadakov, and K.E. Horner J. Phys. Chem. A 117 2013 518
27. S. Pathak, R. Bast, and K. Ruud J. Chem. Theory Comput. 9 2013 2189
28. S.M. Azami J. Phys. Chem. A 114 2010 11794
29. C. Foroutan-Nejad J. Phys. Chem. A 115 2011 12555
30. C.A. Coulson, N.H. March, and S. Altmann Proc. Natl. Acad. Sci. USA 38 1952 372
31. S. Shaik, A. Shurki, D. Danovich, and P.C. Hiberty Chem. Rev. 101 2001 1501 and references therein
32. J.C. Santos, W. Tiznado, R. Contreras, and P. Fuentealba J. Chem. Phys. 120 2004 1670
33. J.C. Santos, J. Andres, A. Aizman, and P. Fuentealba J. Chem. Theory Comput. 1 2005 83
34. F. Feixas, E. Matito, M. Solà, and J. Poater J. Phys. Chem. A 112 2008 13231
35. F. Feixas, E. Matito, M. Solà, and J. Poater Phys. Chem. Chem. Phys. 12 2010 7126
36. M. Mandado, M.J. González-Moa, and R.A. Mosquera Chem. Chem. Phys. 8 2007 696
37. T. Heine, R. Islas, and G. Merino J. Comput. Chem. 28 2007 302
38. S. Fias, P. Geerlings, P. Ayers, and F. De Proft Phys. Chem. Chem. Phys. 15 2013 2882
39. S. Fias, Z. Boisdenghien, T. Stuyver, M. Audiffred, G. Merino, P. Geerlings, and F. de Proft J. Phys. Chem. A 117 2013 3556
40. P.V.R. Schleyer, H. Jiao, N.J.R.V.E. Hommes, V.G. Malkin, and O.L. Malkina J. Am. Chem. Soc. 119 1997 12669
41. P.v.R. Schleyer, M. Manoharan, Z. Wang, B. Kiran, H. Jiao, N.J.R.v.E. Hommes, and F. de Proft Org. Lett. 3 2011 2465
42. F. Biegler-König J. Comput. Chem. 12 2000 1040
43. The Chemcraft Website. http://www.chemcraftprog.com.
44. T. Bally Angew. Chem. Int. Ed. 45 2006 6616
45. N.C. Baird J. Am. Chem. Soc. 94 1972 4941
46. V. Gogonea, P.V.R. Schleyer, and P.R. Schreiner Angew. Chem. Int. Ed. 37 1998 1945
47. H. Ottosson Nat. Chem. 4 2012 969
48. A. Stanger J. Phys. Chem. A 112 2008 12849
49. J. Aihara, and T. Ishida J. Phys. Chem. A 114 2010 1093